| SpectraBase Spectrum ID |
C3EifGHp9zw |
| Name |
(2S,3S,4R,5S)-Methyl 3-(4-methoxyphenyl)-4-nitro-1-[(S)-2-nitro-1-phenylethyl]-5-phenylpyrrolidine-2-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H27N3O7 |
| InChI |
InChI=1S/C27H27N3O7/c1-36-21-15-13-19(14-16-21)23-25(30(34)35)24(20-11-7-4-8-12-20)29(26(23)27(31)37-2)22(17-28(32)33)18-9-5-3-6-10-18/h3-16,22-26H,17H2,1-2H3/t22-,23-,24+,25-,26+/m1/s1 |
| InChIKey |
AISGEIOAVVDGFO-RTJMFUJLSA-N |
| Instrument Name |
Shimadzu QP-5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.201902382 |
| Molecular Weight |
505.527 g/mol |
| Optical Rotation |
[a]D28 = 83.2 (c = 1, CHCl3) |
| Reported Formula |
C27H27N3O7 |
| SMILES |
[C@]1(N([C@]([C@@]([C@]1(c1ccc(cc1)OC)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])[C@](C[N+]([O-])=O)(c1ccccc1)[H])(C(OC)=O)[H] |
| SPLASH |
splash10-00dj-1391100000-de45ec8857e880f62da2 |
| Sample Comments |
95% de, 98% ee |
| Source of Spectrum |
CCC-12-2019-10b |
| Wiley ID |
1839867 |
![(2S,3S,4R,5S)-Methyl 3-(4-methoxyphenyl)-4-nitro-1-[(S)-2-nitro-1-phenylethyl]-5-phenylpyrrolidine-2-carboxylate](/api/spectrum/C3EifGHp9zw/structure.png?h=300&w=458 "(2S,3S,4R,5S)-Methyl 3-(4-methoxyphenyl)-4-nitro-1-[(S)-2-nitro-1-phenylethyl]-5-phenylpyrrolidine-2-carboxylate")
